USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 286 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.086 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0859 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 147:sc= -0.116 (180deg=-0.558) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.341 K(o=-0.34,f=-3.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0687 USER MOD Single : A 25 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.42) USER MOD Single : A 29 HIS : no HD1:sc= -1.01 K(o=-1,f=-5!) USER MOD Single : A 34 THR OG1 : rot -45:sc= 1.01 USER MOD Single : A 37 SER OG : rot -146:sc= 1.29 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 24:sc= 0.0167 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.381 -10.601 -4.052 1.00 0.00 N ATOM 2 CA GLY A 1 -7.214 -9.422 -3.907 1.00 0.00 C ATOM 3 C GLY A 1 -7.184 -8.860 -2.499 1.00 0.00 C ATOM 4 O GLY A 1 -6.366 -9.272 -1.677 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.762 -10.489 -4.880 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.799 -10.722 -3.198 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.984 -11.438 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.880 -8.657 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.241 -9.672 -4.173 1.00 0.00 H new ATOM 8 N SER A 2 -8.078 -7.917 -2.222 1.00 0.00 N ATOM 9 CA SER A 2 -8.148 -7.294 -0.905 1.00 0.00 C ATOM 10 C SER A 2 -9.569 -7.347 -0.353 1.00 0.00 C ATOM 11 O SER A 2 -9.780 -7.654 0.820 1.00 0.00 O ATOM 12 CB SER A 2 -7.671 -5.842 -0.979 1.00 0.00 C ATOM 13 OG SER A 2 -6.294 -5.773 -1.304 1.00 0.00 O ATOM 0 H SER A 2 -8.764 -7.567 -2.891 1.00 0.00 H new ATOM 0 HA SER A 2 -7.495 -7.850 -0.232 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.252 -5.303 -1.727 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.847 -5.349 -0.023 1.00 0.00 H new ATOM 0 HG SER A 2 -6.015 -4.835 -1.347 1.00 0.00 H new ATOM 19 N SER A 3 -10.541 -7.045 -1.208 1.00 0.00 N ATOM 20 CA SER A 3 -11.943 -7.055 -0.807 1.00 0.00 C ATOM 21 C SER A 3 -12.208 -8.157 0.214 1.00 0.00 C ATOM 22 O SER A 3 -11.819 -9.308 0.017 1.00 0.00 O ATOM 23 CB SER A 3 -12.844 -7.248 -2.028 1.00 0.00 C ATOM 24 OG SER A 3 -14.212 -7.224 -1.661 1.00 0.00 O ATOM 0 H SER A 3 -10.383 -6.790 -2.183 1.00 0.00 H new ATOM 0 HA SER A 3 -12.170 -6.094 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.646 -6.463 -2.758 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.610 -8.197 -2.510 1.00 0.00 H new ATOM 0 HG SER A 3 -14.767 -7.348 -2.459 1.00 0.00 H new ATOM 30 N GLY A 4 -12.874 -7.796 1.307 1.00 0.00 N ATOM 31 CA GLY A 4 -13.180 -8.765 2.343 1.00 0.00 C ATOM 32 C GLY A 4 -12.746 -8.299 3.718 1.00 0.00 C ATOM 33 O GLY A 4 -13.438 -7.509 4.361 1.00 0.00 O ATOM 0 H GLY A 4 -13.207 -6.850 1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.253 -8.958 2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.687 -9.709 2.110 1.00 0.00 H new ATOM 37 N SER A 5 -11.598 -8.790 4.173 1.00 0.00 N ATOM 38 CA SER A 5 -11.075 -8.423 5.483 1.00 0.00 C ATOM 39 C SER A 5 -11.388 -6.965 5.805 1.00 0.00 C ATOM 40 O SER A 5 -11.869 -6.648 6.893 1.00 0.00 O ATOM 41 CB SER A 5 -9.563 -8.655 5.536 1.00 0.00 C ATOM 42 OG SER A 5 -8.888 -7.828 4.605 1.00 0.00 O ATOM 0 H SER A 5 -11.012 -9.443 3.653 1.00 0.00 H new ATOM 0 HA SER A 5 -11.559 -9.054 6.229 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.196 -8.451 6.542 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.345 -9.701 5.323 1.00 0.00 H new ATOM 0 HG SER A 5 -7.924 -7.994 4.659 1.00 0.00 H new ATOM 48 N SER A 6 -11.112 -6.083 4.851 1.00 0.00 N ATOM 49 CA SER A 6 -11.360 -4.657 5.032 1.00 0.00 C ATOM 50 C SER A 6 -12.782 -4.413 5.529 1.00 0.00 C ATOM 51 O SER A 6 -13.726 -5.069 5.091 1.00 0.00 O ATOM 52 CB SER A 6 -11.130 -3.906 3.719 1.00 0.00 C ATOM 53 OG SER A 6 -9.767 -3.551 3.567 1.00 0.00 O ATOM 0 H SER A 6 -10.716 -6.330 3.944 1.00 0.00 H new ATOM 0 HA SER A 6 -10.662 -4.284 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.443 -4.529 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.748 -3.008 3.697 1.00 0.00 H new ATOM 0 HG SER A 6 -9.646 -3.074 2.720 1.00 0.00 H new ATOM 59 N GLY A 7 -12.926 -3.463 6.448 1.00 0.00 N ATOM 60 CA GLY A 7 -14.235 -3.147 6.990 1.00 0.00 C ATOM 61 C GLY A 7 -14.563 -1.671 6.892 1.00 0.00 C ATOM 62 O GLY A 7 -15.050 -1.204 5.862 1.00 0.00 O ATOM 0 H GLY A 7 -12.160 -2.907 6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.993 -3.721 6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.277 -3.457 8.034 1.00 0.00 H new ATOM 66 N GLN A 8 -14.297 -0.934 7.966 1.00 0.00 N ATOM 67 CA GLN A 8 -14.570 0.498 7.996 1.00 0.00 C ATOM 68 C GLN A 8 -13.275 1.296 8.114 1.00 0.00 C ATOM 69 O GLN A 8 -12.636 1.311 9.166 1.00 0.00 O ATOM 70 CB GLN A 8 -15.500 0.837 9.162 1.00 0.00 C ATOM 71 CG GLN A 8 -14.970 0.387 10.514 1.00 0.00 C ATOM 72 CD GLN A 8 -16.055 0.308 11.569 1.00 0.00 C ATOM 73 OE1 GLN A 8 -16.572 -0.770 11.864 1.00 0.00 O ATOM 74 NE2 GLN A 8 -16.407 1.451 12.145 1.00 0.00 N ATOM 0 H GLN A 8 -13.893 -1.305 8.826 1.00 0.00 H new ATOM 0 HA GLN A 8 -15.059 0.769 7.060 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.662 1.915 9.185 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -16.471 0.372 8.989 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.499 -0.590 10.408 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.196 1.079 10.845 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.952 2.322 11.870 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.132 1.458 12.862 1.00 0.00 H new ATOM 83 N LYS A 9 -12.894 1.959 7.027 1.00 0.00 N ATOM 84 CA LYS A 9 -11.676 2.761 7.008 1.00 0.00 C ATOM 85 C LYS A 9 -11.836 3.970 6.092 1.00 0.00 C ATOM 86 O LYS A 9 -11.981 3.843 4.876 1.00 0.00 O ATOM 87 CB LYS A 9 -10.489 1.912 6.548 1.00 0.00 C ATOM 88 CG LYS A 9 -10.281 0.657 7.378 1.00 0.00 C ATOM 89 CD LYS A 9 -9.239 -0.257 6.755 1.00 0.00 C ATOM 90 CE LYS A 9 -8.815 -1.356 7.717 1.00 0.00 C ATOM 91 NZ LYS A 9 -9.799 -2.473 7.751 1.00 0.00 N ATOM 0 H LYS A 9 -13.411 1.957 6.148 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.489 3.117 8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.638 1.628 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.583 2.517 6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.969 0.933 8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.226 0.122 7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.642 -0.703 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.367 0.329 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.839 -1.741 7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.704 -0.939 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.300 -3.370 7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.483 -2.310 8.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.303 -2.520 6.842 1.00 0.00 H new ATOM 105 N PRO A 10 -11.807 5.172 6.686 1.00 0.00 N ATOM 106 CA PRO A 10 -11.945 6.427 5.941 1.00 0.00 C ATOM 107 C PRO A 10 -10.728 6.721 5.070 1.00 0.00 C ATOM 108 O PRO A 10 -10.861 7.190 3.939 1.00 0.00 O ATOM 109 CB PRO A 10 -12.079 7.481 7.044 1.00 0.00 C ATOM 110 CG PRO A 10 -11.401 6.881 8.226 1.00 0.00 C ATOM 111 CD PRO A 10 -11.638 5.399 8.131 1.00 0.00 C ATOM 0 HA PRO A 10 -12.789 6.401 5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.609 8.420 6.753 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.125 7.700 7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.335 7.107 8.221 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.807 7.282 9.154 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.798 4.831 8.531 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.523 5.097 8.691 1.00 0.00 H new ATOM 119 N TYR A 11 -9.544 6.440 5.602 1.00 0.00 N ATOM 120 CA TYR A 11 -8.303 6.676 4.873 1.00 0.00 C ATOM 121 C TYR A 11 -8.112 5.636 3.773 1.00 0.00 C ATOM 122 O TYR A 11 -7.617 4.537 4.021 1.00 0.00 O ATOM 123 CB TYR A 11 -7.111 6.647 5.831 1.00 0.00 C ATOM 124 CG TYR A 11 -7.315 7.480 7.076 1.00 0.00 C ATOM 125 CD1 TYR A 11 -7.996 6.967 8.174 1.00 0.00 C ATOM 126 CD2 TYR A 11 -6.827 8.778 7.156 1.00 0.00 C ATOM 127 CE1 TYR A 11 -8.186 7.724 9.314 1.00 0.00 C ATOM 128 CE2 TYR A 11 -7.011 9.541 8.293 1.00 0.00 C ATOM 129 CZ TYR A 11 -7.691 9.010 9.369 1.00 0.00 C ATOM 130 OH TYR A 11 -7.877 9.768 10.502 1.00 0.00 O ATOM 0 H TYR A 11 -9.417 6.049 6.535 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.364 7.661 4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -6.915 5.615 6.122 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.225 7.004 5.306 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -8.383 5.960 8.135 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.295 9.198 6.315 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.719 7.311 10.157 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.624 10.548 8.339 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.466 10.649 10.377 1.00 0.00 H new ATOM 140 N VAL A 12 -8.507 5.993 2.555 1.00 0.00 N ATOM 141 CA VAL A 12 -8.378 5.093 1.415 1.00 0.00 C ATOM 142 C VAL A 12 -7.299 5.577 0.453 1.00 0.00 C ATOM 143 O VAL A 12 -7.259 6.752 0.087 1.00 0.00 O ATOM 144 CB VAL A 12 -9.709 4.960 0.652 1.00 0.00 C ATOM 145 CG1 VAL A 12 -9.547 4.039 -0.548 1.00 0.00 C ATOM 146 CG2 VAL A 12 -10.805 4.454 1.578 1.00 0.00 C ATOM 0 H VAL A 12 -8.919 6.899 2.332 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.096 4.117 1.811 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.999 5.945 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.498 3.957 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.793 4.448 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.234 3.051 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.739 4.366 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.525 3.478 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.938 5.155 2.402 1.00 0.00 H new ATOM 156 N CYS A 13 -6.425 4.663 0.045 1.00 0.00 N ATOM 157 CA CYS A 13 -5.345 4.994 -0.876 1.00 0.00 C ATOM 158 C CYS A 13 -5.890 5.292 -2.270 1.00 0.00 C ATOM 159 O CYS A 13 -6.729 4.557 -2.789 1.00 0.00 O ATOM 160 CB CYS A 13 -4.335 3.847 -0.946 1.00 0.00 C ATOM 161 SG CYS A 13 -2.664 4.357 -1.459 1.00 0.00 S ATOM 0 H CYS A 13 -6.444 3.686 0.338 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.845 5.887 -0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.273 3.371 0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.704 3.095 -1.643 1.00 0.00 H new ATOM 166 N ASN A 14 -5.406 6.375 -2.869 1.00 0.00 N ATOM 167 CA ASN A 14 -5.845 6.771 -4.203 1.00 0.00 C ATOM 168 C ASN A 14 -4.941 6.168 -5.274 1.00 0.00 C ATOM 169 O ASN A 14 -5.154 6.376 -6.468 1.00 0.00 O ATOM 170 CB ASN A 14 -5.856 8.296 -4.327 1.00 0.00 C ATOM 171 CG ASN A 14 -6.832 8.947 -3.367 1.00 0.00 C ATOM 172 OD1 ASN A 14 -7.080 8.437 -2.274 1.00 0.00 O ATOM 173 ND2 ASN A 14 -7.392 10.081 -3.772 1.00 0.00 N ATOM 0 H ASN A 14 -4.710 6.994 -2.453 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.857 6.394 -4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.854 8.680 -4.138 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.116 8.573 -5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.057 10.565 -3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.157 10.468 -4.686 1.00 0.00 H new ATOM 180 N GLU A 15 -3.932 5.421 -4.837 1.00 0.00 N ATOM 181 CA GLU A 15 -2.996 4.789 -5.759 1.00 0.00 C ATOM 182 C GLU A 15 -3.439 3.367 -6.095 1.00 0.00 C ATOM 183 O GLU A 15 -3.464 2.972 -7.261 1.00 0.00 O ATOM 184 CB GLU A 15 -1.589 4.768 -5.158 1.00 0.00 C ATOM 185 CG GLU A 15 -0.857 6.094 -5.274 1.00 0.00 C ATOM 186 CD GLU A 15 -0.861 6.640 -6.689 1.00 0.00 C ATOM 187 OE1 GLU A 15 -0.487 5.890 -7.615 1.00 0.00 O ATOM 188 OE2 GLU A 15 -1.238 7.817 -6.870 1.00 0.00 O ATOM 0 H GLU A 15 -3.742 5.239 -3.852 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.982 5.374 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.657 4.491 -4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.003 3.995 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.321 6.821 -4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.173 5.967 -4.940 1.00 0.00 H new ATOM 195 N CYS A 16 -3.787 2.604 -5.065 1.00 0.00 N ATOM 196 CA CYS A 16 -4.228 1.226 -5.248 1.00 0.00 C ATOM 197 C CYS A 16 -5.665 1.047 -4.768 1.00 0.00 C ATOM 198 O CYS A 16 -6.446 0.313 -5.373 1.00 0.00 O ATOM 199 CB CYS A 16 -3.304 0.268 -4.494 1.00 0.00 C ATOM 200 SG CYS A 16 -3.195 0.593 -2.705 1.00 0.00 S ATOM 0 H CYS A 16 -3.772 2.916 -4.094 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.187 0.996 -6.313 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.655 -0.753 -4.646 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.305 0.330 -4.925 1.00 0.00 H new ATOM 205 N GLY A 17 -6.008 1.724 -3.675 1.00 0.00 N ATOM 206 CA GLY A 17 -7.350 1.626 -3.133 1.00 0.00 C ATOM 207 C GLY A 17 -7.384 0.910 -1.797 1.00 0.00 C ATOM 208 O GLY A 17 -8.412 0.356 -1.407 1.00 0.00 O ATOM 0 H GLY A 17 -5.380 2.338 -3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.765 2.627 -3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.987 1.097 -3.842 1.00 0.00 H new ATOM 212 N LYS A 18 -6.258 0.920 -1.093 1.00 0.00 N ATOM 213 CA LYS A 18 -6.161 0.267 0.207 1.00 0.00 C ATOM 214 C LYS A 18 -6.672 1.183 1.315 1.00 0.00 C ATOM 215 O LYS A 18 -6.230 2.324 1.444 1.00 0.00 O ATOM 216 CB LYS A 18 -4.713 -0.136 0.492 1.00 0.00 C ATOM 217 CG LYS A 18 -4.587 -1.385 1.347 1.00 0.00 C ATOM 218 CD LYS A 18 -3.191 -1.981 1.262 1.00 0.00 C ATOM 219 CE LYS A 18 -3.068 -3.237 2.111 1.00 0.00 C ATOM 220 NZ LYS A 18 -3.446 -4.460 1.350 1.00 0.00 N ATOM 0 H LYS A 18 -5.398 1.374 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.783 -0.628 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.197 -0.300 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.207 0.689 0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.817 -1.142 2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.320 -2.124 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.958 -2.218 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.459 -1.244 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.043 -3.334 2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.705 -3.145 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.349 -5.294 1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.432 -4.379 1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.821 -4.562 0.525 1.00 0.00 H new ATOM 234 N ALA A 19 -7.605 0.674 2.114 1.00 0.00 N ATOM 235 CA ALA A 19 -8.173 1.445 3.213 1.00 0.00 C ATOM 236 C ALA A 19 -7.426 1.177 4.515 1.00 0.00 C ATOM 237 O ALA A 19 -6.982 0.057 4.768 1.00 0.00 O ATOM 238 CB ALA A 19 -9.651 1.125 3.374 1.00 0.00 C ATOM 0 H ALA A 19 -7.983 -0.269 2.020 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.066 2.503 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.062 1.708 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.180 1.375 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.772 0.063 3.585 1.00 0.00 H new ATOM 244 N PHE A 20 -7.292 2.211 5.339 1.00 0.00 N ATOM 245 CA PHE A 20 -6.597 2.086 6.615 1.00 0.00 C ATOM 246 C PHE A 20 -7.368 2.795 7.725 1.00 0.00 C ATOM 247 O PHE A 20 -7.404 4.023 7.784 1.00 0.00 O ATOM 248 CB PHE A 20 -5.185 2.665 6.510 1.00 0.00 C ATOM 249 CG PHE A 20 -4.395 2.113 5.357 1.00 0.00 C ATOM 250 CD1 PHE A 20 -4.633 2.552 4.064 1.00 0.00 C ATOM 251 CD2 PHE A 20 -3.416 1.156 5.566 1.00 0.00 C ATOM 252 CE1 PHE A 20 -3.908 2.046 3.002 1.00 0.00 C ATOM 253 CE2 PHE A 20 -2.687 0.648 4.508 1.00 0.00 C ATOM 254 CZ PHE A 20 -2.935 1.092 3.224 1.00 0.00 C ATOM 0 H PHE A 20 -7.655 3.144 5.146 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.530 1.026 6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.252 3.748 6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.648 2.464 7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.393 3.298 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.220 0.803 6.568 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.102 2.397 1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.924 -0.096 4.685 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.369 0.694 2.395 1.00 0.00 H new ATOM 264 N GLY A 21 -7.985 2.010 8.604 1.00 0.00 N ATOM 265 CA GLY A 21 -8.747 2.579 9.699 1.00 0.00 C ATOM 266 C GLY A 21 -8.027 3.732 10.370 1.00 0.00 C ATOM 267 O GLY A 21 -8.650 4.562 11.033 1.00 0.00 O ATOM 0 H GLY A 21 -7.970 0.990 8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.711 2.925 9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.951 1.803 10.437 1.00 0.00 H new ATOM 271 N LEU A 22 -6.710 3.784 10.199 1.00 0.00 N ATOM 272 CA LEU A 22 -5.903 4.844 10.795 1.00 0.00 C ATOM 273 C LEU A 22 -5.293 5.734 9.717 1.00 0.00 C ATOM 274 O LEU A 22 -5.119 5.313 8.573 1.00 0.00 O ATOM 275 CB LEU A 22 -4.796 4.242 11.662 1.00 0.00 C ATOM 276 CG LEU A 22 -5.141 4.025 13.136 1.00 0.00 C ATOM 277 CD1 LEU A 22 -3.970 3.393 13.871 1.00 0.00 C ATOM 278 CD2 LEU A 22 -5.537 5.341 13.790 1.00 0.00 C ATOM 0 H LEU A 22 -6.179 3.105 9.653 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.554 5.455 11.420 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.507 3.283 11.232 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.923 4.893 11.606 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.990 3.343 13.194 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.234 3.246 14.918 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.733 2.430 13.418 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.102 4.049 13.804 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.779 5.168 14.839 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.708 6.046 13.721 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.408 5.753 13.280 1.00 0.00 H new ATOM 290 N LYS A 23 -4.969 6.968 10.090 1.00 0.00 N ATOM 291 CA LYS A 23 -4.375 7.918 9.157 1.00 0.00 C ATOM 292 C LYS A 23 -2.928 7.546 8.849 1.00 0.00 C ATOM 293 O LYS A 23 -2.590 7.221 7.711 1.00 0.00 O ATOM 294 CB LYS A 23 -4.437 9.335 9.732 1.00 0.00 C ATOM 295 CG LYS A 23 -4.036 10.413 8.740 1.00 0.00 C ATOM 296 CD LYS A 23 -4.143 11.800 9.349 1.00 0.00 C ATOM 297 CE LYS A 23 -3.625 12.868 8.398 1.00 0.00 C ATOM 298 NZ LYS A 23 -3.252 14.118 9.118 1.00 0.00 N ATOM 0 H LYS A 23 -5.108 7.333 11.032 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.946 7.883 8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.451 9.533 10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.784 9.393 10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.013 10.239 8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.673 10.352 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.183 12.009 9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.577 11.835 10.280 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.757 12.486 7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.388 13.092 7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.904 14.821 8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.086 14.497 9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.506 13.910 9.811 1.00 0.00 H new ATOM 312 N SER A 24 -2.079 7.596 9.870 1.00 0.00 N ATOM 313 CA SER A 24 -0.668 7.266 9.708 1.00 0.00 C ATOM 314 C SER A 24 -0.500 5.969 8.921 1.00 0.00 C ATOM 315 O SER A 24 0.397 5.850 8.087 1.00 0.00 O ATOM 316 CB SER A 24 0.009 7.138 11.074 1.00 0.00 C ATOM 317 OG SER A 24 1.219 6.407 10.978 1.00 0.00 O ATOM 0 H SER A 24 -2.344 7.862 10.819 1.00 0.00 H new ATOM 0 HA SER A 24 -0.194 8.074 9.150 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.211 8.130 11.477 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.665 6.641 11.772 1.00 0.00 H new ATOM 0 HG SER A 24 1.632 6.341 11.864 1.00 0.00 H new ATOM 323 N GLN A 25 -1.369 5.002 9.195 1.00 0.00 N ATOM 324 CA GLN A 25 -1.317 3.714 8.514 1.00 0.00 C ATOM 325 C GLN A 25 -1.270 3.899 7.001 1.00 0.00 C ATOM 326 O GLN A 25 -0.514 3.220 6.305 1.00 0.00 O ATOM 327 CB GLN A 25 -2.528 2.861 8.898 1.00 0.00 C ATOM 328 CG GLN A 25 -2.464 2.317 10.316 1.00 0.00 C ATOM 329 CD GLN A 25 -1.177 1.566 10.595 1.00 0.00 C ATOM 330 OE1 GLN A 25 -0.770 0.699 9.821 1.00 0.00 O ATOM 331 NE2 GLN A 25 -0.528 1.895 11.706 1.00 0.00 N ATOM 0 H GLN A 25 -2.117 5.086 9.883 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.407 3.203 8.827 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.433 3.459 8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.610 2.027 8.201 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.559 3.142 11.022 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.312 1.653 10.485 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.901 2.620 12.319 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.344 1.423 11.946 1.00 0.00 H new ATOM 340 N LEU A 26 -2.082 4.823 6.498 1.00 0.00 N ATOM 341 CA LEU A 26 -2.133 5.098 5.066 1.00 0.00 C ATOM 342 C LEU A 26 -0.916 5.904 4.623 1.00 0.00 C ATOM 343 O LEU A 26 -0.298 5.601 3.602 1.00 0.00 O ATOM 344 CB LEU A 26 -3.415 5.856 4.718 1.00 0.00 C ATOM 345 CG LEU A 26 -3.490 6.436 3.305 1.00 0.00 C ATOM 346 CD1 LEU A 26 -3.725 5.331 2.286 1.00 0.00 C ATOM 347 CD2 LEU A 26 -4.586 7.487 3.218 1.00 0.00 C ATOM 0 H LEU A 26 -2.713 5.394 7.060 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.127 4.145 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.261 5.183 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.536 6.672 5.431 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.537 6.914 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.776 5.763 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.905 4.614 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.663 4.823 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.625 7.889 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.546 7.033 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.374 8.293 3.920 1.00 0.00 H new ATOM 359 N ILE A 27 -0.578 6.929 5.397 1.00 0.00 N ATOM 360 CA ILE A 27 0.567 7.776 5.086 1.00 0.00 C ATOM 361 C ILE A 27 1.815 6.939 4.824 1.00 0.00 C ATOM 362 O ILE A 27 2.563 7.200 3.882 1.00 0.00 O ATOM 363 CB ILE A 27 0.859 8.770 6.225 1.00 0.00 C ATOM 364 CG1 ILE A 27 -0.426 9.483 6.651 1.00 0.00 C ATOM 365 CG2 ILE A 27 1.912 9.779 5.792 1.00 0.00 C ATOM 366 CD1 ILE A 27 -0.194 10.621 7.619 1.00 0.00 C ATOM 0 H ILE A 27 -1.081 7.193 6.244 1.00 0.00 H new ATOM 0 HA ILE A 27 0.311 8.334 4.185 1.00 0.00 H new ATOM 0 HB ILE A 27 1.246 8.216 7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.929 9.868 5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.099 8.758 7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.107 10.474 6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.833 9.256 5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.552 10.331 4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.149 11.080 7.877 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.281 10.239 8.523 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.453 11.366 7.156 1.00 0.00 H new ATOM 378 N ILE A 28 2.032 5.932 5.664 1.00 0.00 N ATOM 379 CA ILE A 28 3.188 5.055 5.521 1.00 0.00 C ATOM 380 C ILE A 28 3.054 4.166 4.290 1.00 0.00 C ATOM 381 O ILE A 28 4.045 3.844 3.633 1.00 0.00 O ATOM 382 CB ILE A 28 3.376 4.167 6.765 1.00 0.00 C ATOM 383 CG1 ILE A 28 3.486 5.030 8.024 1.00 0.00 C ATOM 384 CG2 ILE A 28 4.610 3.290 6.608 1.00 0.00 C ATOM 385 CD1 ILE A 28 2.980 4.343 9.273 1.00 0.00 C ATOM 0 H ILE A 28 1.423 5.703 6.450 1.00 0.00 H new ATOM 0 HA ILE A 28 4.061 5.698 5.408 1.00 0.00 H new ATOM 0 HB ILE A 28 2.504 3.520 6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.528 5.312 8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.924 5.952 7.873 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.730 2.668 7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.494 2.653 5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.491 3.920 6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.088 5.013 10.126 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.929 4.085 9.146 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.558 3.436 9.449 1.00 0.00 H new ATOM 397 N HIS A 29 1.823 3.772 3.982 1.00 0.00 N ATOM 398 CA HIS A 29 1.559 2.921 2.827 1.00 0.00 C ATOM 399 C HIS A 29 1.810 3.677 1.526 1.00 0.00 C ATOM 400 O HIS A 29 2.552 3.213 0.661 1.00 0.00 O ATOM 401 CB HIS A 29 0.119 2.408 2.863 1.00 0.00 C ATOM 402 CG HIS A 29 -0.281 1.659 1.630 1.00 0.00 C ATOM 403 ND1 HIS A 29 0.102 0.358 1.382 1.00 0.00 N ATOM 404 CD2 HIS A 29 -1.038 2.035 0.572 1.00 0.00 C ATOM 405 CE1 HIS A 29 -0.399 -0.034 0.224 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.095 0.965 -0.288 1.00 0.00 N ATOM 0 H HIS A 29 0.992 4.028 4.516 1.00 0.00 H new ATOM 0 HA HIS A 29 2.240 2.071 2.870 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.005 1.758 3.729 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.556 3.253 3.000 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.509 2.997 0.431 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.263 -1.006 -0.227 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.594 0.945 -1.177 1.00 0.00 H new ATOM 414 N GLU A 30 1.185 4.844 1.395 1.00 0.00 N ATOM 415 CA GLU A 30 1.341 5.662 0.199 1.00 0.00 C ATOM 416 C GLU A 30 2.813 5.806 -0.175 1.00 0.00 C ATOM 417 O GLU A 30 3.148 6.071 -1.330 1.00 0.00 O ATOM 418 CB GLU A 30 0.722 7.045 0.416 1.00 0.00 C ATOM 419 CG GLU A 30 -0.755 7.001 0.772 1.00 0.00 C ATOM 420 CD GLU A 30 -1.293 8.354 1.196 1.00 0.00 C ATOM 421 OE1 GLU A 30 -1.677 9.144 0.307 1.00 0.00 O ATOM 422 OE2 GLU A 30 -1.330 8.624 2.414 1.00 0.00 O ATOM 0 H GLU A 30 0.567 5.243 2.102 1.00 0.00 H new ATOM 0 HA GLU A 30 0.823 5.163 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.264 7.556 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.852 7.638 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.322 6.642 -0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.909 6.284 1.578 1.00 0.00 H new ATOM 429 N ARG A 31 3.688 5.629 0.810 1.00 0.00 N ATOM 430 CA ARG A 31 5.124 5.740 0.586 1.00 0.00 C ATOM 431 C ARG A 31 5.575 4.799 -0.528 1.00 0.00 C ATOM 432 O ARG A 31 6.483 5.120 -1.296 1.00 0.00 O ATOM 433 CB ARG A 31 5.888 5.426 1.873 1.00 0.00 C ATOM 434 CG ARG A 31 5.557 6.365 3.022 1.00 0.00 C ATOM 435 CD ARG A 31 6.417 6.076 4.243 1.00 0.00 C ATOM 436 NE ARG A 31 7.810 6.465 4.036 1.00 0.00 N ATOM 437 CZ ARG A 31 8.255 7.708 4.181 1.00 0.00 C ATOM 438 NH1 ARG A 31 7.422 8.677 4.532 1.00 0.00 N ATOM 439 NH2 ARG A 31 9.537 7.983 3.975 1.00 0.00 N ATOM 0 H ARG A 31 3.427 5.408 1.771 1.00 0.00 H new ATOM 0 HA ARG A 31 5.341 6.764 0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.667 4.403 2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.958 5.475 1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.708 7.397 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.504 6.263 3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.015 6.610 5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.369 5.013 4.477 1.00 0.00 H new ATOM 0 HE ARG A 31 8.477 5.743 3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.436 8.469 4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.767 9.631 4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.181 7.240 3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.878 8.938 4.086 1.00 0.00 H new ATOM 453 N ILE A 32 4.935 3.638 -0.609 1.00 0.00 N ATOM 454 CA ILE A 32 5.270 2.651 -1.629 1.00 0.00 C ATOM 455 C ILE A 32 5.130 3.239 -3.029 1.00 0.00 C ATOM 456 O ILE A 32 5.820 2.823 -3.961 1.00 0.00 O ATOM 457 CB ILE A 32 4.377 1.401 -1.518 1.00 0.00 C ATOM 458 CG1 ILE A 32 2.973 1.702 -2.047 1.00 0.00 C ATOM 459 CG2 ILE A 32 4.314 0.922 -0.075 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.093 0.476 -2.154 1.00 0.00 C ATOM 0 H ILE A 32 4.182 3.357 0.019 1.00 0.00 H new ATOM 0 HA ILE A 32 6.307 2.362 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 32 4.811 0.607 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.493 2.427 -1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.055 2.167 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.679 0.038 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.318 0.673 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.900 1.711 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.113 0.764 -2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.551 -0.242 -2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.980 0.022 -1.169 1.00 0.00 H new ATOM 472 N HIS A 33 4.234 4.211 -3.171 1.00 0.00 N ATOM 473 CA HIS A 33 4.006 4.859 -4.457 1.00 0.00 C ATOM 474 C HIS A 33 4.889 6.094 -4.608 1.00 0.00 C ATOM 475 O HIS A 33 5.546 6.279 -5.634 1.00 0.00 O ATOM 476 CB HIS A 33 2.534 5.249 -4.601 1.00 0.00 C ATOM 477 CG HIS A 33 1.586 4.125 -4.319 1.00 0.00 C ATOM 478 ND1 HIS A 33 1.491 3.002 -5.115 1.00 0.00 N ATOM 479 CD2 HIS A 33 0.689 3.953 -3.321 1.00 0.00 C ATOM 480 CE1 HIS A 33 0.575 2.190 -4.619 1.00 0.00 C ATOM 481 NE2 HIS A 33 0.073 2.743 -3.530 1.00 0.00 N ATOM 0 H HIS A 33 3.654 4.567 -2.411 1.00 0.00 H new ATOM 0 HA HIS A 33 4.266 4.151 -5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.317 6.075 -3.923 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.361 5.614 -5.613 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.042 2.826 -5.955 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.493 4.639 -2.510 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.286 1.236 -5.034 1.00 0.00 H new ATOM 489 N THR A 34 4.900 6.937 -3.581 1.00 0.00 N ATOM 490 CA THR A 34 5.700 8.155 -3.600 1.00 0.00 C ATOM 491 C THR A 34 7.057 7.911 -4.252 1.00 0.00 C ATOM 492 O THR A 34 7.533 8.727 -5.040 1.00 0.00 O ATOM 493 CB THR A 34 5.918 8.706 -2.178 1.00 0.00 C ATOM 494 OG1 THR A 34 6.786 7.837 -1.443 1.00 0.00 O ATOM 495 CG2 THR A 34 4.593 8.848 -1.444 1.00 0.00 C ATOM 0 H THR A 34 4.363 6.799 -2.725 1.00 0.00 H new ATOM 0 HA THR A 34 5.145 8.889 -4.185 1.00 0.00 H new ATOM 0 HB THR A 34 6.377 9.691 -2.260 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.517 6.906 -1.588 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.772 9.239 -0.442 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.946 9.534 -1.991 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.110 7.873 -1.372 1.00 0.00 H new ATOM 503 N GLY A 35 7.674 6.782 -3.918 1.00 0.00 N ATOM 504 CA GLY A 35 8.971 6.451 -4.480 1.00 0.00 C ATOM 505 C GLY A 35 8.915 6.242 -5.980 1.00 0.00 C ATOM 506 O GLY A 35 8.071 6.822 -6.663 1.00 0.00 O ATOM 0 H GLY A 35 7.299 6.091 -3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.677 7.250 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.350 5.547 -4.004 1.00 0.00 H new ATOM 510 N GLU A 36 9.818 5.413 -6.495 1.00 0.00 N ATOM 511 CA GLU A 36 9.869 5.132 -7.925 1.00 0.00 C ATOM 512 C GLU A 36 8.504 4.683 -8.440 1.00 0.00 C ATOM 513 O GLU A 36 8.009 3.618 -8.072 1.00 0.00 O ATOM 514 CB GLU A 36 10.916 4.055 -8.218 1.00 0.00 C ATOM 515 CG GLU A 36 10.920 2.919 -7.210 1.00 0.00 C ATOM 516 CD GLU A 36 11.804 1.763 -7.637 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.603 1.246 -8.756 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.695 1.375 -6.854 1.00 0.00 O ATOM 0 H GLU A 36 10.524 4.925 -5.944 1.00 0.00 H new ATOM 0 HA GLU A 36 10.149 6.051 -8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.736 3.646 -9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.904 4.516 -8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.261 3.295 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.901 2.559 -7.069 1.00 0.00 H new ATOM 525 N SER A 37 7.901 5.505 -9.293 1.00 0.00 N ATOM 526 CA SER A 37 6.592 5.196 -9.856 1.00 0.00 C ATOM 527 C SER A 37 6.201 6.221 -10.917 1.00 0.00 C ATOM 528 O SER A 37 6.902 7.209 -11.129 1.00 0.00 O ATOM 529 CB SER A 37 5.534 5.159 -8.752 1.00 0.00 C ATOM 530 OG SER A 37 5.262 6.461 -8.263 1.00 0.00 O ATOM 0 H SER A 37 8.298 6.390 -9.609 1.00 0.00 H new ATOM 0 HA SER A 37 6.649 4.215 -10.327 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.617 4.713 -9.137 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.878 4.525 -7.935 1.00 0.00 H new ATOM 0 HG SER A 37 5.065 6.416 -7.304 1.00 0.00 H new ATOM 536 N GLY A 38 5.075 5.976 -11.581 1.00 0.00 N ATOM 537 CA GLY A 38 4.609 6.886 -12.611 1.00 0.00 C ATOM 538 C GLY A 38 4.251 8.252 -12.060 1.00 0.00 C ATOM 539 O GLY A 38 3.945 8.407 -10.878 1.00 0.00 O ATOM 0 H GLY A 38 4.478 5.164 -11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.382 6.996 -13.371 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.737 6.456 -13.103 1.00 0.00 H new ATOM 543 N PRO A 39 4.288 9.273 -12.929 1.00 0.00 N ATOM 544 CA PRO A 39 3.968 10.651 -12.545 1.00 0.00 C ATOM 545 C PRO A 39 2.486 10.838 -12.238 1.00 0.00 C ATOM 546 O PRO A 39 2.123 11.378 -11.193 1.00 0.00 O ATOM 547 CB PRO A 39 4.365 11.464 -13.780 1.00 0.00 C ATOM 548 CG PRO A 39 4.266 10.503 -14.914 1.00 0.00 C ATOM 549 CD PRO A 39 4.644 9.160 -14.354 1.00 0.00 C ATOM 0 HA PRO A 39 4.487 10.952 -11.635 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.700 12.316 -13.924 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.376 11.861 -13.685 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.256 10.485 -15.323 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.934 10.789 -15.727 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.098 8.353 -14.842 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.706 8.953 -14.488 1.00 0.00 H new ATOM 557 N SER A 40 1.635 10.388 -13.154 1.00 0.00 N ATOM 558 CA SER A 40 0.192 10.510 -12.981 1.00 0.00 C ATOM 559 C SER A 40 -0.161 11.799 -12.246 1.00 0.00 C ATOM 560 O SER A 40 -1.036 11.813 -11.380 1.00 0.00 O ATOM 561 CB SER A 40 -0.354 9.305 -12.213 1.00 0.00 C ATOM 562 OG SER A 40 -0.623 8.222 -13.086 1.00 0.00 O ATOM 0 H SER A 40 1.919 9.936 -14.023 1.00 0.00 H new ATOM 0 HA SER A 40 -0.266 10.540 -13.970 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.367 8.995 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.266 9.588 -11.688 1.00 0.00 H new ATOM 0 HG SER A 40 -0.969 7.464 -12.570 1.00 0.00 H new ATOM 568 N SER A 41 0.527 12.880 -12.597 1.00 0.00 N ATOM 569 CA SER A 41 0.290 14.175 -11.969 1.00 0.00 C ATOM 570 C SER A 41 -0.404 15.129 -12.935 1.00 0.00 C ATOM 571 O SER A 41 0.020 15.290 -14.079 1.00 0.00 O ATOM 572 CB SER A 41 1.611 14.784 -11.494 1.00 0.00 C ATOM 573 OG SER A 41 2.485 15.021 -12.584 1.00 0.00 O ATOM 0 H SER A 41 1.253 12.885 -13.313 1.00 0.00 H new ATOM 0 HA SER A 41 -0.361 14.020 -11.109 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.416 15.720 -10.970 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.089 14.113 -10.780 1.00 0.00 H new ATOM 0 HG SER A 41 1.963 15.114 -13.408 1.00 0.00 H new ATOM 579 N GLY A 42 -1.477 15.760 -12.466 1.00 0.00 N ATOM 580 CA GLY A 42 -2.214 16.691 -13.301 1.00 0.00 C ATOM 581 C GLY A 42 -3.321 17.397 -12.543 1.00 0.00 C ATOM 582 O GLY A 42 -4.421 17.532 -13.077 1.00 0.00 O ATOM 0 H GLY A 42 -1.849 15.643 -11.523 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.526 17.432 -13.708 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.642 16.155 -14.148 1.00 0.00 H new TER 586 GLY A 42 HETATM 587 ZN ZN A 201 -1.725 2.302 -2.110 1.00 0.00 ZN